Information card for entry 7032756

Structure parameters

• Formula: C22 H16 F0 Fe N6 O2 P0
• Calculated formula: C22 H16 Fe N6 O2
• SMILES: [Fe]12(C#N)(C#N)([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.O.O
• Title of publication: Syntheses, crystal structures, MMCT and magnetic properties of four one-dimensional cyanide-bridged complexes comprised of M(II)-CN-Fe(III) (M = Fe, Ru, Os).
• Authors of publication: Wang, Yong; Ma, Xiao; Hu, Shengmin; Wen, Yuehong; Xue, Zhenzhen; Zhu, Xiaoquan; Zhang, Xudong; Sheng, Tianlu; Wu, Xintao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17453 - 17462
• a: 9.257 ± 0.008 Å
• b: 16.127 ± 0.013 Å
• c: 13.836 ± 0.011 Å
• α: 90°
• β: 94.234 ± 0.016°
• γ: 90°
• Cell volume: 2060 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No